6-oxa-2-thiaspiro[4.5]decan-9-yl-(1-phenylcyclopropyl)methanone

C18H22O2S — CID 79908896

IUPAC6-oxa-2-thiaspiro[4.5]decan-9-yl-(1-phenylcyclopropyl)methanone
SMILESO=C(C1CCOC2(CCSC2)C1)C1(c2ccccc2)CC1
InChIInChI=1S/C18H22O2S/c19-16(18(7-8-18)15-4-2-1-3-5-15)14-6-10-20-17(12-14)9-11-21-13-17/h1-5,14H,6-13H2
InChIKeyAWHFADYZUJQPQM-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.59
Rot. Bonds3

About 6-oxa-2-thiaspiro[4.5]decan-9-yl-(1-phenylcyclopropyl)methanone

6-oxa-2-thiaspiro[4.5]decan-9-yl-(1-phenylcyclopropyl)methanone (PubChem CID 79908896) has the molecular formula C18H22O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is 6-oxa-2-thiaspiro[4.5]decan-9-yl-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name6-oxa-2-thiaspiro[4.5]decan-9-yl-(1-phenylcyclopropyl)methanone
PubChem CID79908896
Molecular FormulaC18H22O2S
Molecular Weight302.44 g/mol
Exact Mass302.13
IUPAC Name6-oxa-2-thiaspiro[4.5]decan-9-yl-(1-phenylcyclopropyl)methanone
SMILESO=C(C1CCOC2(CCSC2)C1)C1(c2ccccc2)CC1
InChIInChI=1S/C18H22O2S/c19-16(18(7-8-18)15-4-2-1-3-5-15)14-6-10-20-17(12-14)9-11-21-13-17/h1-5,14H,6-13H2
InChIKeyAWHFADYZUJQPQM-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 116576726
2-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one
CID 116564038
1-benzothiophen-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 115788238
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylbutan-1-one
CID 115788081
(3-iodophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 115788182
furan-3-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79921246
2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79904501
(2-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79920949
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913679
1-[(5R,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-3-(1-phenylcyclobutyl)urea
CID 97235550
methyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate
CID 106942420
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol
CID 79899148

Frequently Asked Questions

What is the IUPAC name of 6-oxa-2-thiaspiro[4.5]decan-9-yl-(1-phenylcyclopropyl)methanone?
The IUPAC name of 6-oxa-2-thiaspiro[4.5]decan-9-yl-(1-phenylcyclopropyl)methanone (CID 79908896) is 6-oxa-2-thiaspiro[4.5]decan-9-yl-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for 6-oxa-2-thiaspiro[4.5]decan-9-yl-(1-phenylcyclopropyl)methanone?
The canonical SMILES for 6-oxa-2-thiaspiro[4.5]decan-9-yl-(1-phenylcyclopropyl)methanone is O=C(C1CCOC2(CCSC2)C1)C1(c2ccccc2)CC1.
What is the InChIKey of 6-oxa-2-thiaspiro[4.5]decan-9-yl-(1-phenylcyclopropyl)methanone?
The InChIKey is AWHFADYZUJQPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2S/c19-16(18(7-8-18)15-4-2-1-3-5-15)14-6-10-20-17(12-14)9-11-21-13-17/h1-5,14H,6-13H2.
What are the key properties of 6-oxa-2-thiaspiro[4.5]decan-9-yl-(1-phenylcyclopropyl)methanone?
6-oxa-2-thiaspiro[4.5]decan-9-yl-(1-phenylcyclopropyl)methanone has a molecular weight of 302.44 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-2-thiaspiro[4.5]decan-9-yl-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 79908896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).